ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate

C26H20F2N4O3 — CID 66864042

IUPACethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)ccc2n1
InChIInChI=1S/C26H20F2N4O3/c1-2-35-26(34)21-15-31-14-20(7-9-24(31)30-21)29-25(33)23-12-17-11-19(28)6-8-22(17)32(23)13-16-4-3-5-18(27)10-16/h3-12,14-15H,2,13H2,1H3,(H,29,33)
InChIKeyRPZRWQVWUGBPRS-UHFFFAOYSA-N
MW474.47 g/mol
LogP5.04
Rot. Bonds6

About ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 66864042) has the molecular formula C26H20F2N4O3 and a molecular weight of 474.47 g/mol. Its IUPAC name is ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID66864042
Molecular FormulaC26H20F2N4O3
Molecular Weight474.47 g/mol
Exact Mass474.15
IUPAC Nameethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)ccc2n1
InChIInChI=1S/C26H20F2N4O3/c1-2-35-26(34)21-15-31-14-20(7-9-24(31)30-21)29-25(33)23-12-17-11-19(28)6-8-22(17)32(23)13-16-4-3-5-18(27)10-16/h3-12,14-15H,2,13H2,1H3,(H,29,33)
InChIKeyRPZRWQVWUGBPRS-UHFFFAOYSA-N
XLogP5.04
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate (CID 66864042) is ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)ccc2n1.
What is the InChIKey of ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is RPZRWQVWUGBPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N4O3/c1-2-35-26(34)21-15-31-14-20(7-9-24(31)30-21)29-25(33)23-12-17-11-19(28)6-8-22(17)32(23)13-16-4-3-5-18(27)10-16/h3-12,14-15H,2,13H2,1H3,(H,29,33).
What are the key properties of ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 474.47 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 66864042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).